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Home > Boronic Acids > 957061-10-8
957061-10-8 | (4-(2-(1,3-Dioxoisoindolin-2-yl);ethoxy);phenyl);boronic acid
CAS No: 957061-10-8 Catalog No: AG003BTX MDL No:MFCD09258750
Product Description
Catalog Number:
AG003BTX
Chemical Name:
(4-(2-(1,3-Dioxoisoindolin-2-yl);ethoxy);phenyl);boronic acid
CAS Number:
957061-10-8
Molecular Formula:
C16H14BNO5
Molecular Weight:
311.0971
MDL Number:
MFCD09258750
IUPAC Name:
[4-[2-(1,3-dioxoisoindol-2-yl)ethoxy]phenyl]boronic acid
InChI:
InChI=1S/C16H14BNO5/c19-15-13-3-1-2-4-14(13)16(20)18(15)9-10-23-12-7-5-11(6-8-12)17(21)22/h1-8,21-22H,9-10H2
InChI Key:
CFRXLUKYUVSWFV-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)OCCN1C(=O)c2c(C1=O)cccc2)O
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.097g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
311.1g/mol
Monoisotopic Mass:
311.097g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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